SCHEMBL11024955

SCHEMBL11024955

C=C(C)C(=O)OCCc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
FBP1 P09467 1/20 0.34
ESR1 P03372 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11023120 0.92 TSHR (0.41) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11025869 0.86 ALDH1A1 (0.37) TSHRALDH1A1POLBHTTFBP1
SCHEMBL11026911 0.85 ALDH1A1 (0.40) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11027638 0.83 THRB (0.42) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11025473 0.82 ALDH1A1 (0.40) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11028007 0.80 THRB (0.42) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11027727 0.80 THRB (0.40) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11028237 0.79 TSHR (0.42) THRBTSHRALDH1A1FBP1HPGD
SCHEMBL11029438 0.78 THRB (0.39) THRBTSHRALDH1A1POLBTDP1
SCHEMBL11027009 0.78 KMT2A (0.42) THRBTSHRALDH1A1POLBTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed